2-methyl-2-[2-(2-methylheptan-2-ylsulfonyl)ethylsulfonyl]heptane

C18H38O4S2 — CID 25021309

IUPAC2-methyl-2-[2-(2-methylheptan-2-ylsulfonyl)ethylsulfonyl]heptane
SMILESCCCCCC(C)(C)S(=O)(=O)CCS(=O)(=O)C(C)(C)CCCCC
InChIInChI=1S/C18H38O4S2/c1-7-9-11-13-17(3,4)23(19,20)15-16-24(21,22)18(5,6)14-12-10-8-2/h7-16H2,1-6H3
InChIKeyDYBMWSMLXAEZDW-UHFFFAOYSA-N
MW382.63 g/mol
LogP4.53
Rot. Bonds13

About 2-methyl-2-[2-(2-methylheptan-2-ylsulfonyl)ethylsulfonyl]heptane

2-methyl-2-[2-(2-methylheptan-2-ylsulfonyl)ethylsulfonyl]heptane (PubChem CID 25021309) has the molecular formula C18H38O4S2 and a molecular weight of 382.63 g/mol. Its IUPAC name is 2-methyl-2-[2-(2-methylheptan-2-ylsulfonyl)ethylsulfonyl]heptane.

Molecular Properties

Compound Name2-methyl-2-[2-(2-methylheptan-2-ylsulfonyl)ethylsulfonyl]heptane
PubChem CID25021309
Molecular FormulaC18H38O4S2
Molecular Weight382.63 g/mol
Exact Mass382.22
IUPAC Name2-methyl-2-[2-(2-methylheptan-2-ylsulfonyl)ethylsulfonyl]heptane
SMILESCCCCCC(C)(C)S(=O)(=O)CCS(=O)(=O)C(C)(C)CCCCC
InChIInChI=1S/C18H38O4S2/c1-7-9-11-13-17(3,4)23(19,20)15-16-24(21,22)18(5,6)14-12-10-8-2/h7-16H2,1-6H3
InChIKeyDYBMWSMLXAEZDW-UHFFFAOYSA-N
XLogP4.53
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.63
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-2-[2-(2-methylheptan-2-ylsulfonyl)ethylsulfonyl]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;propyl 2-methylnonadecane-2-sulfonate
CID 88762591
3-methyl-1-methylsulfonyloctan-3-ol
CID 80557919
3-methyl-3-(3-methylicosan-3-ylsulfonyl)icosane
CID 169224285
2-hydroxyundecane-2-sulfonic acid
CID 24797633
bis(2-methylheptan-2-yl)arsane
CID 15724792
sodium 12-fluoropentacosane-12-sulfonate
CID 175529495
potassium 12-fluoropentacosane-12-sulfonate
CID 175528903
11-methyl-11-nonylhenicosane
CID 19690388
13-methyl-13-octylhentriacontane
CID 173152457
16,16,21,21-tetramethylhexatriacontane
CID 174880889
21-undecyltritetracontane-21-sulfonic acid
CID 175161908
1,1-dibromo-1-(1,1-dibromoheptadecylsulfonyl)heptadecane
CID 87151392

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(2-methylheptan-2-ylsulfonyl)ethylsulfonyl]heptane?
The IUPAC name of 2-methyl-2-[2-(2-methylheptan-2-ylsulfonyl)ethylsulfonyl]heptane (CID 25021309) is 2-methyl-2-[2-(2-methylheptan-2-ylsulfonyl)ethylsulfonyl]heptane.
What is the SMILES notation for 2-methyl-2-[2-(2-methylheptan-2-ylsulfonyl)ethylsulfonyl]heptane?
The canonical SMILES for 2-methyl-2-[2-(2-methylheptan-2-ylsulfonyl)ethylsulfonyl]heptane is CCCCCC(C)(C)S(=O)(=O)CCS(=O)(=O)C(C)(C)CCCCC.
What is the InChIKey of 2-methyl-2-[2-(2-methylheptan-2-ylsulfonyl)ethylsulfonyl]heptane?
The InChIKey is DYBMWSMLXAEZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O4S2/c1-7-9-11-13-17(3,4)23(19,20)15-16-24(21,22)18(5,6)14-12-10-8-2/h7-16H2,1-6H3.
What are the key properties of 2-methyl-2-[2-(2-methylheptan-2-ylsulfonyl)ethylsulfonyl]heptane?
2-methyl-2-[2-(2-methylheptan-2-ylsulfonyl)ethylsulfonyl]heptane has a molecular weight of 382.63 g/mol, XLogP of 4.53, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(2-methylheptan-2-ylsulfonyl)ethylsulfonyl]heptane is sourced from PubChem (CID 25021309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).